![CAS 2092453-43-3 tert-butyl N-[trans-2-methylazetidin-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2092453-43-3.png)
CAS RN: 2092453-43-3
tert-butyl N-[trans-2-methylazetidin-3-yl]carbamate
- Product code: SSC-098973
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2092453-43-3 / tert-butyl N-[(2R,3S)-2-methylazetidin-3-yl]carbamate
Basic Information
CAS
2092453-43-3
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
C[C@@H]1[C@H](CN1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H18N2O2/c1-6-7(5-10-6)11-8(12)13-9(2,3)4/h6-7,10H,5H2,1-4H3,(H,11,12)/t6-,7+/m1/s1
InChIKey
LXXPLHYWFLINDJ-RQJHMYQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.62
TPSA
50.36
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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